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Re: [lammps-users] Format of the Data File
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Re: [lammps-users] Format of the Data File


From: MASATO KOIZUMI <mkoizumi@...3709...>
Date: Sun, 22 Oct 2017 01:19:05 -0700

Dear Hossein,

Thank you for your reply. Could you refer me to the LAMMPS examples or github you are discussing. I am searching the LAMMPS examples that I came in with the package but could not find the one that I am looking for in regards to defining bonds. Thank you.

Sincerely,

Masato Koizumi

On Sun, Oct 22, 2017 at 1:09 AM, Hossein Geraili <geraili.hsn@...24...> wrote:

Dear Masato,
Please see the examples in lammps page or github. You should define your bonds.
Best


On Oct 22, 2017 11:36 AM, "MASATO KOIZUMI" <mkoizumi@...3709...> wrote:
Dear LAMMPS Users,

Hello. This is Masato Koizumi, and I am currently simulating polymer chain deformation using quartic bonds. My input script reads a data file where a portion of the file display the following:

1 atom types
2 bond types

0.0000   158.5000 xlo xhi
0.0000   158.5000 ylo yhi
0.0000   100.0000 zlo zhi

Masses

1 1

Pair Coeffs

1 1 1 

Bond Coeffs # quartic

2 1200 -0.55 0.25 1.3 34.6878


However, I am obtaining an error that states: Unexpected end of data file (../read_data.cpp:821)

I would greatly appreciate if someone could provide me with a feedback on the format of my data file. Thank you.

Sincerely,

Masato Koizumi

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